CID 3068588

Pyrrolo(3,2-b)(1,5)benzodiazepin-10(1h)-one, 4,9-dihydro-4-((diethylamino)acetyl)-1,3-dimethyl-

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CCN(CC)CC(=O)N1C2=CC=CC=C2NC(=O)C3=C1C(=CN3C)C
InChI
InChI=1S/C19H24N4O2/c1-5-22(6-2)12-16(24)23-15-10-8-7-9-14(15)20-19(25)18-17(23)13(3)11-21(18)4/h7-11H,5-6,12H2,1-4H3,(H,20,25)
InChIKey
OMGRWANAOURKNO-UHFFFAOYSA-N
Compound name
10-[2-(diethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 182.5
[M+Na]+ 363.17912 190.0
[M-H]- 339.18262 186.0
[M+NH4]+ 358.22372 195.6
[M+K]+ 379.15306 189.5
[M+H-H2O]+ 323.18716 173.6
[M+HCOO]- 385.18810 198.3
[M+CH3COO]- 399.20375 218.7
[M+Na-2H]- 361.16457 182.6
[M]+ 340.18935 182.7
[M]- 340.19045 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe